Protocols
===========


High Throughput
---------------

To run in HT mode use the flag **-HT** that will perform: 3 growing steps of 3 pelesteps
and a final exploration of 20 pele steps

::
 
    python frag/grow_for_pele.py -cp core.pdb -sef serie_file.conf -HT




Standard Precision
---------------------

To run in SP mode use the dafault values that will perform: 6 growing steps of 6 pelesteps
and a final exploration of 20 pele steps

::

    python frag/grow_for_pele.py -cp core.pdb -sef serie_file.conf


Explorative
-----------

To run in EX mode use the flag **-EX** that will perform an standar growing simulation with a sampling simulation of:
 2 steering, 0.5/0.3 translation, 0.4/0.15 rotation and 25 of box radius. Select the number of steps in this sampling
 simulation with the flag **-es**.

::

    python frag/grow_for_pele.py -cp core.pdb -sef serie_file.conf -EX -es 200